Geometry & MOs

Info

ID:	169063
PubChem CID:	75059467
Reduced:	AsN2S2Na3H10O11C16 (1)
Stoich.:	AB2C2D3E10F11G16 (1)
Weight, g/mol:	496.235556
ΔH_f, kcal/mol:	-510.42
Dipole, Da:	19.9
IP(EA), eV:	-9.02(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexylazanium;2-(2,4-dinitroanilino)-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NN=C2C(=CC3=C(C2=O)C(=CC(=C3)S(=O)(=O)[O-])O)S(=O)(=O)O)[As](=O)([O-])[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations